The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co

R. D. Diehl, N. Ferralis, K. Pussi, Milton Walter Cole, W. Setyawan, S. Curtarolo

Research output: Contribution to journalReview article

17 Citations (Scopus)

Abstract

The ordering of physically adsorbed gases on quasicrystalline surfaces exemplifies the effects of competing interactions. In this study, grand canonical Monte Carlo simulations were performed to complement experimental measurements of the ordering of Xe adsorbed on the tenfold surface of decagonal Al-Ni-Co. The simulations employed a semi-empirical gas-surface interaction, based on conventional combining rules, and the Lennard-Jones Xe-Xe interaction. The simulation results are consistent with the experiment and provide a new insight into the ordering behavior. The film initially has a fivefold quasicrystalline symmetry, but it evolves into a close-packed structure during adsorption of the second layer. The presence of symmetry defects in the sixfold structure creates domains of Xe having different (but equivalent) rotational epitaxy, suggesting that even in the absence of substrate defects, the annealed film has the five different rotational alignments observed in the experimental studies.

Original languageEnglish (US)
Pages (from-to)863-868
Number of pages6
JournalPhilosophical Magazine
Volume86
Issue number6-8
DOIs
StatePublished - Feb 21 2006

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simulation
defects
symmetry
gases
complement
epitaxy
surface reactions
alignment
interactions
adsorption
Interaction
Simulation
Defects
Gas
Symmetry
Adsorption
Monte Carlo Simulation
Layer
Conventional
Substrate

All Science Journal Classification (ASJC) codes

  • Philosophy

Cite this

Diehl, R. D., Ferralis, N., Pussi, K., Cole, M. W., Setyawan, W., & Curtarolo, S. (2006). The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co. Philosophical Magazine, 86(6-8), 863-868. https://doi.org/10.1080/14786430500227970
Diehl, R. D. ; Ferralis, N. ; Pussi, K. ; Cole, Milton Walter ; Setyawan, W. ; Curtarolo, S. / The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co. In: Philosophical Magazine. 2006 ; Vol. 86, No. 6-8. pp. 863-868.
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Diehl, RD, Ferralis, N, Pussi, K, Cole, MW, Setyawan, W & Curtarolo, S 2006, 'The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co', Philosophical Magazine, vol. 86, no. 6-8, pp. 863-868. https://doi.org/10.1080/14786430500227970

The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co. / Diehl, R. D.; Ferralis, N.; Pussi, K.; Cole, Milton Walter; Setyawan, W.; Curtarolo, S.

In: Philosophical Magazine, Vol. 86, No. 6-8, 21.02.2006, p. 863-868.

Research output: Contribution to journalReview article

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T1 - The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co

AU - Diehl, R. D.

AU - Ferralis, N.

AU - Pussi, K.

AU - Cole, Milton Walter

AU - Setyawan, W.

AU - Curtarolo, S.

PY - 2006/2/21

Y1 - 2006/2/21

N2 - The ordering of physically adsorbed gases on quasicrystalline surfaces exemplifies the effects of competing interactions. In this study, grand canonical Monte Carlo simulations were performed to complement experimental measurements of the ordering of Xe adsorbed on the tenfold surface of decagonal Al-Ni-Co. The simulations employed a semi-empirical gas-surface interaction, based on conventional combining rules, and the Lennard-Jones Xe-Xe interaction. The simulation results are consistent with the experiment and provide a new insight into the ordering behavior. The film initially has a fivefold quasicrystalline symmetry, but it evolves into a close-packed structure during adsorption of the second layer. The presence of symmetry defects in the sixfold structure creates domains of Xe having different (but equivalent) rotational epitaxy, suggesting that even in the absence of substrate defects, the annealed film has the five different rotational alignments observed in the experimental studies.

AB - The ordering of physically adsorbed gases on quasicrystalline surfaces exemplifies the effects of competing interactions. In this study, grand canonical Monte Carlo simulations were performed to complement experimental measurements of the ordering of Xe adsorbed on the tenfold surface of decagonal Al-Ni-Co. The simulations employed a semi-empirical gas-surface interaction, based on conventional combining rules, and the Lennard-Jones Xe-Xe interaction. The simulation results are consistent with the experiment and provide a new insight into the ordering behavior. The film initially has a fivefold quasicrystalline symmetry, but it evolves into a close-packed structure during adsorption of the second layer. The presence of symmetry defects in the sixfold structure creates domains of Xe having different (but equivalent) rotational epitaxy, suggesting that even in the absence of substrate defects, the annealed film has the five different rotational alignments observed in the experimental studies.

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Diehl RD, Ferralis N, Pussi K, Cole MW, Setyawan W, Curtarolo S. The ordering of a Xe monolayer on quasicrystalline Al-Ni-Co. Philosophical Magazine. 2006 Feb 21;86(6-8):863-868. https://doi.org/10.1080/14786430500227970